SCHEMBL6850226

SCHEMBL6850226

CC(=O)Nc1ccc2c(c1)c(=O)n(Cc1ccccc1)c1nnc(N3CCCC3)n21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.55
PLK1 P53350 1/20 0.51
MAPT P10636 3/20 0.46
NPC1 O15118 7/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 2/20 0.45
RAB9A P51151 5/20 0.44
RXFP1 Q9HBX9 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6856250 0.89 L3MBTL1 (0.44) TP53PLK1MAPTLMNARXFP1
SCHEMBL6853813 0.89 L3MBTL1 (0.46) TP53PLK1MAPTLMNARXFP1
SCHEMBL6856315 0.87 L3MBTL1 (0.44) TP53PLK1MAPTNPC1SMN1; SMN2
SCHEMBL6850072 0.85 L3MBTL1 (0.43) TP53PLK1MAPTNPC1LMNA
SCHEMBL6854052 0.85 TP53 (0.45) TP53PLK1MAPTNPC1SMN1; SMN2
SCHEMBL6855766 0.85 TP53 (0.45) TP53PLK1MAPTNPC1SMN1; SMN2
SCHEMBL6791736 0.85 TP53 (0.60) TP53PLK1MAPTNPC1SMN1; SMN2
SCHEMBL6855363 0.84 DPP4 (0.48) PLK1MAPTRXFP1L3MBTL1KDM4E
SCHEMBL6856455 0.84 TP53 (0.57) TP53PLK1MAPTNPC1SMN1; SMN2
SCHEMBL6855545 0.84 TP53 (0.57) TP53PLK1MAPTNPC1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US claimed
EP-1177195-B1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER LAMBERT CO (US) 2003-03-19 EP claimed
JP-2002543199-A 2002-12-17 JP claimed
EP-1177195-A1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2002-02-06 EP claimed
WO-2000066584-A1 1-AMINO TRIAZOLO¢4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2000-11-09 WO claimed
US-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US disclosed
EP-1177195-B1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER LAMBERT CO (US) 2003-03-19 EP disclosed
EP-1177195-A1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2002-02-06 EP disclosed
WO-2000066584-A1 1-AMINO TRIAZOLO¢4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2000-11-09 WO disclosed